3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C76H52N2 — CID 118087718

IUPAC3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc(-c7ccccc7)cc6)cc(-c6cccc7ccccc67)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C76H52N2/c1-4-18-53(19-5-1)55-34-36-57(37-35-55)58-42-45-66(46-43-58)77(65-25-8-3-9-26-65)67-27-16-24-61(49-67)70-29-12-13-30-71(70)62-44-47-76-74(52-62)73-31-14-15-33-75(73)78(76)68-50-63(59-40-38-56(39-41-59)54-20-6-2-7-21-54)48-64(51-68)72-32-17-23-60-22-10-11-28-69(60)72/h1-52H
InChIKeyZHLDZNLBOAJLAD-UHFFFAOYSA-N
MW993.27 g/mol
LogP21.08
Rot. Bonds11

About 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 118087718) has the molecular formula C76H52N2 and a molecular weight of 993.27 g/mol. Its IUPAC name is 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID118087718
Molecular FormulaC76H52N2
Molecular Weight993.27 g/mol
Exact Mass992.41
IUPAC Name3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc(-c7ccccc7)cc6)cc(-c6cccc7ccccc67)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C76H52N2/c1-4-18-53(19-5-1)55-34-36-57(37-35-55)58-42-45-66(46-43-58)77(65-25-8-3-9-26-65)67-27-16-24-61(49-67)70-29-12-13-30-71(70)62-44-47-76-74(52-62)73-31-14-15-33-75(73)78(76)68-50-63(59-40-38-56(39-41-59)54-20-6-2-7-21-54)48-64(51-68)72-32-17-23-60-22-10-11-28-69(60)72/h1-52H
InChIKeyZHLDZNLBOAJLAD-UHFFFAOYSA-N
XLogP21.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.27
LogP ≤ 521.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
CID 118087606
N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 118087639
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118337352
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103160
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901543
N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 144844280
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-[3-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 118087617

Frequently Asked Questions

What is the IUPAC name of 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 118087718) is 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc(-c7ccccc7)cc6)cc(-c6cccc7ccccc67)c5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is ZHLDZNLBOAJLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N2/c1-4-18-53(19-5-1)55-34-36-57(37-35-55)58-42-45-66(46-43-58)77(65-25-8-3-9-26-65)67-27-16-24-61(49-67)70-29-12-13-30-71(70)62-44-47-76-74(52-62)73-31-14-15-33-75(73)78(76)68-50-63(59-40-38-56(39-41-59)54-20-6-2-7-21-54)48-64(51-68)72-32-17-23-60-22-10-11-28-69(60)72/h1-52H.
What are the key properties of 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 993.27 g/mol, XLogP of 21.08, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 118087718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).